HMDB0003573 RDKit 3D Scopolamine 43 46 0 0 0 0 0 0 0 0999 V2000 -5.3127 -1.2445 0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8987 -1.0008 0.1066 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4582 -0.2596 1.2759 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9848 -0.3957 1.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2329 -0.5640 0.1372 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0999 0.3064 0.1957 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1977 -0.1575 0.1581 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3719 -1.4039 0.0681 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3147 0.8156 0.2243 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1740 1.8663 -0.8746 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1853 1.2966 -2.1361 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6325 0.1496 0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5165 0.2726 1.2262 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7457 -0.3294 1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1298 -1.0825 0.1269 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2480 -1.2046 -0.9244 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9969 -0.6001 -0.9268 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9815 -0.2356 -1.0997 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4589 -0.1486 -0.9637 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8017 1.2742 -0.5320 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.9079 1.5013 0.2466 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7779 1.1969 0.9810 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.9050 -0.4997 -0.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6271 -1.3181 1.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4843 -2.2605 -0.3197 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0125 -0.6219 2.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6170 0.4747 2.0158 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7895 -1.2873 2.0711 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 -1.5964 0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2139 1.3668 1.1814 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2647 2.4613 -0.6676 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0330 2.5410 -0.7918 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3921 0.7240 -2.2806 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2062 0.8604 2.0638 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4061 -0.2147 2.0452 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0995 -1.5820 0.0693 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5188 -1.7890 -1.7925 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3604 -0.7381 -1.7812 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6335 0.7308 -1.5697 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7662 -1.0053 -1.8948 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9791 -0.3777 -1.9222 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2817 2.0908 -1.0454 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1757 1.9881 1.4563 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 9 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 5 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 19 2 1 0 22 20 1 0 22 3 1 0 17 12 1 0 1 23 1 0 1 24 1 0 1 25 1 0 3 26 1 1 4 27 1 0 4 28 1 0 5 29 1 6 9 30 1 1 10 31 1 0 10 32 1 0 11 33 1 0 13 34 1 0 14 35 1 0 15 36 1 0 16 37 1 0 17 38 1 0 18 39 1 0 18 40 1 0 19 41 1 6 20 42 1 6 22 43 1 1 M END